3-(3-Aminophenyl)propanoic acid - ≥97% , CAS No.1664-54-6

CAS: 1664-54-6 Cat. No.: A191401 Molecular Weight: 165.19 EC Number: 670-495-1

GRADE & PURITY ≥97%

Synonyms

3-(3-aminophenyl)propanoicacid | DTXSID501303296 | SCHEMBL360723 | ChemDiv2_001856 | PS-6140 | 3-aminobenzenepropanoic acid | SB76080 | MFCD00153889 | AMY3860 | 3-(3-Aminophenyl)propionic acid | 3-(3-amino-phenyl)-propionic acid | m-Aminohydrozimtsaure |

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Overview

3-(3-Aminophenyl)propionic acid is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields.

Specifications

Synonyms

3-(3-aminophenyl)propanoicacid | DTXSID501303296 | SCHEMBL360723 | ChemDiv2_001856 | PS-6140 | 3-aminobenzenepropanoic acid | SB76080 | MFCD00153889 | AMY3860 | 3-(3-Aminophenyl)propionic acid | 3-(3-amino-phenyl)-propionic acid | m-Aminohydrozimtsaure |

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504761252
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761252
• Canonical Smiles: C1=CC(=CC(=C1)N)CCC(=O)O
• IUPAC Name: 3-(3-aminophenyl)propanoic acid
• InChIKey: SBHFVSXLYOBZKD-UHFFFAOYSA-N
• INCHI: 1S/C9H11NO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6H,4-5,10H2,(H,11,12)
• Isomeric SMILES: C1=CC(=CC(=C1)N)CCC(=O)O
• Molecular Weight: 165.19
• Reaxy-Rn: 2804090
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2804090&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Phenylpropanoic acids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Phenylpropanoic acids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanoic acids
• Alternative Parents: Aniline and substituted anilines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3-phenylpropanoic-acid - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Amino acid or derivatives - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Organopnictogen compound - Primary amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: light sensitive
• Melt Point(°C): 99-101℃
• Molecular Weight: 165.190 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 165.079 Da
• Monoisotopic Mass: 165.079 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 159.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1